2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide

C12H20N2O4S2 — CID 43269908

IUPAC2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-4-9-14(10(2)3)20(17,18)12-8-6-5-7-11(12)19(13,15)16/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyUHQPPQFEBGLQIG-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.14
Rot. Bonds6

About 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide

2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide (PubChem CID 43269908) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
PubChem CID43269908
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-4-9-14(10(2)3)20(17,18)12-8-6-5-7-11(12)19(13,15)16/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyUHQPPQFEBGLQIG-UHFFFAOYSA-N
XLogP1.14
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
N,N-Diethylbenzenesulfonamide
CID 74367
Benzenesulfonamide, N,N-bis(2-cyanoethyl)-
CID 101352
n,n-Dibutylbenzenesulfonamide
CID 220596
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
N-Butyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645283
N-(cyclopropylmethyl)-N-propylbenzene-1,4-disulfonamide
CID 717987
N-[bis(diisopropylamino)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 2830960
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671
N-cyclohexyl-N-methylbenzenesulfonamide
CID 668788
4-(Pyrrolidin-1-ylsulfonyl)benzenesulfonamide
CID 788064

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide?
The IUPAC name of 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide (CID 43269908) is 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide.
What is the SMILES notation for 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide?
The canonical SMILES for 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide?
The InChIKey is UHQPPQFEBGLQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-4-9-14(10(2)3)20(17,18)12-8-6-5-7-11(12)19(13,15)16/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide?
2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide is sourced from PubChem (CID 43269908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).